arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 1607.06236cond-mat.mes-hallcond-mat.mtrl-sci
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量子流体力学理论中非局域吸收的电流相关交换关联势

Current-dependent exchange-correlation potential for non-local absorption in quantum hydrodynamic theory

Cristian Ciracì

摘要:

量子流体力学理论是描述宏观系统微观细节的一种很有前途的方法。流体动力学方程可以直接从包括外部矢量势的贡献的单粒子Kohn-Sham方程获得。该推导允许在流体动力学方程中直接并入交换相关粘弹性项,使得可以考虑集体激发的加宽以及对等离子体色散的校正。其结果是一个准确的自洽和计算效率高的流体动力学描述的自由电子气体。一个非常准确的协议与全量子计算。

英文摘要:

The quantum hydrodynamic theory is a promising method for describing microscopic details of macroscopic systems. The hydrodynamic equation can be directly obtained from a single particle Kohn-Sham equation that includes the contribution of an external vector potential. This derivation allows to straightforwardly incorporate in the hydrodynamic equation an exchange-correlation viscoelastic term, so that broadening of collective excitation can be taken into account, as well as a correction to the plasmon dispersion. The result is an accurate self-consistent and computationally efficient hydrodynamic description of the free electron gas. A very accurate agreement with full quantum calculations is shown.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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